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Papyriferic acid

Properties

Image

Occurences in reactions

MNX_ID

MNXM67604

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₃₅H₅₆O₈

charge

mass

604.39752

reference

chebi:7919

InChIKey

RLVAVWQAAQFUOP-GNYBQDBLSA-N

InChI

InChI=1S/C35H56O8/c1-20(36)41-22-18-24-32(6)14-12-25(42-28(39)19-27(37)38)30(2,3)23(32)11-16-33(24,7)34(8)15-10-21(29(22)34)35(9)17-13-26(43-35)31(4,5)40/h21-26,29,40H,10-19H2,1-9H3,(H,37,38)/t21-,22+,23-,24+,25+,26+,29-,32-,33+,34+,35-/m0/s1

SMILES

CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@@H]12

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
seed.compound:cpd05539 seedM:cpd05539 CHEBI:7919 chebi:7919 kegg.compound:C08632 keggC:C08632	Papyriferic acid
hmdb:HMDB0040498	3-Epipapyriferic acid 3-Epipapyriferate 3-{[16-(acetyloxy)-14-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-yl]oxy}-3-oxopropanoate 3-{[16-(acetyloxy)-14-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-yl]oxy}-3-oxopropanoic acid [2,2']Bi[1,3,4,9-tetrathia-cyclopenta[b]naphthalenylidene]
CHEBI:172770 chebi:172770	3-Epipapyriferic acid 3-[[12-acetyloxy-17-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-oxopropanoic acid
hmdb:HMDB40498 keggC:M_C08632 seedM:M_cpd05539	secondary/obsolete/fantasy identifier